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. 2021 Nov 24;143(48):20109–20121. doi: 10.1021/jacs.1c06264

Figure 2.

Figure 2

Scheme of incorporation of FRET distances into ASTEROIDS based on simulated data. An in silico ensemble of conformations is generated, for which accessible volumes occupied by Alexa488 and Alexa594 are computed and FRET data are calculated (blue frame). FRET efficiencies are used as an input for ASTEROIDS selection (red frame) from a pool of statistical coil conformers (calculated from flexible-meccano, gray frame).